5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol

C13H19FO3S — CID 65095282

IUPAC5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C13H19FO3S/c1-2-18(16,17)8-4-7-13(15)10-11-5-3-6-12(14)9-11/h3,5-6,9,13,15H,2,4,7-8,10H2,1H3
InChIKeyXMNDILXLBPLBLE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.94
Rot. Bonds7

About 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol

5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol (PubChem CID 65095282) has the molecular formula C13H19FO3S and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
PubChem CID65095282
Molecular FormulaC13H19FO3S
Molecular Weight274.36 g/mol
Exact Mass274.10
IUPAC Name5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
SMILESCCS(=O)(=O)CCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C13H19FO3S/c1-2-18(16,17)8-4-7-13(15)10-11-5-3-6-12(14)9-11/h3,5-6,9,13,15H,2,4,7-8,10H2,1H3
InChIKeyXMNDILXLBPLBLE-UHFFFAOYSA-N
XLogP1.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
CID 65095333
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
5-ethylsulfonyl-2-[(3-fluorophenyl)methyl]-N-methylpentan-1-amine
CID 65097069
3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
CID 115039399
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-ol
CID 65095539
2-[(3-fluorophenyl)methyl]-4-propylsulfonylbutan-1-ol
CID 106734373
1-(3-fluorophenyl)-5-methoxyhexan-2-ol
CID 105078984
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol?
The IUPAC name of 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol (CID 65095282) is 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol?
The canonical SMILES for 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol is CCS(=O)(=O)CCCC(O)Cc1cccc(F)c1.
What is the InChIKey of 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol?
The InChIKey is XMNDILXLBPLBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO3S/c1-2-18(16,17)8-4-7-13(15)10-11-5-3-6-12(14)9-11/h3,5-6,9,13,15H,2,4,7-8,10H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol?
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 65095282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).